4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

C23H23NO3 — CID 3111724

IUPAC4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESCCCOc1ccc(C2CC(=O)Nc3c2ccc2ccccc32)cc1OC
InChIInChI=1S/C23H23NO3/c1-3-12-27-20-11-9-16(13-21(20)26-2)19-14-22(25)24-23-17-7-5-4-6-15(17)8-10-18(19)23/h4-11,13,19H,3,12,14H2,1-2H3,(H,24,25)
InChIKeyHOAZCEBVUMYXQR-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.11
Rot. Bonds5

About 4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 3111724) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID3111724
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESCCCOc1ccc(C2CC(=O)Nc3c2ccc2ccccc32)cc1OC
InChIInChI=1S/C23H23NO3/c1-3-12-27-20-11-9-16(13-21(20)26-2)19-14-22(25)24-23-17-7-5-4-6-15(17)8-10-18(19)23/h4-11,13,19H,3,12,14H2,1-2H3,(H,24,25)
InChIKeyHOAZCEBVUMYXQR-UHFFFAOYSA-N
XLogP5.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of 4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 3111724) is 4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for 4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for 4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is CCCOc1ccc(C2CC(=O)Nc3c2ccc2ccccc32)cc1OC.
What is the InChIKey of 4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is HOAZCEBVUMYXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-3-12-27-20-11-9-16(13-21(20)26-2)19-14-22(25)24-23-17-7-5-4-6-15(17)8-10-18(19)23/h4-11,13,19H,3,12,14H2,1-2H3,(H,24,25).
What are the key properties of 4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 361.44 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-propoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 3111724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).